%chk=000155468.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155468

0 1
 O   0.2447000     -0.5548000      -2.026500    
 O   -3.930800       2.348900      0.4808000    
 N    1.006200     -0.5422000      0.1928000    
 N   -1.938300       1.273900     -0.1747000    
 C   -1.293100      -1.062700     -0.3568000    
 C    2.368300     -0.1783000      5.5900000E-02
 C   -2.240800     -8.5400000E-02 -5.2200001E-02
 C    3.174100     -6.2700003E-02   1.176600    
 C   4.5100000E-02 -0.7074000     -0.8122000    
 C   -1.618100      -2.413100     -0.2284000    
 C    2.864200      5.5799998E-02  -1.216500    
 C   -3.513200     -0.4587000      0.3807000    
 C    4.512800      0.2968000       1.020900    
 C    2.650400     -0.3128000       2.553700    
 C   -2.890600      -2.786200      0.2046000    
 C   -3.838100      -1.809000      0.5091000    
 C    4.203000      0.4152000      -1.372100    
 C    5.027200      0.5358000     -0.2535000    
 C   -2.769100       2.369400      8.7300003E-02
 C   -2.063800       3.677500     -0.1696000    
 H   0.6837000     -0.7001000       1.144000    
 H  -0.8887000      -3.184400     -0.4627000    
 H    2.299200     -1.4000000E-02  -2.133000    
 H   -4.303700      0.2319000      0.6362000    
 H    5.169400      0.3953000       1.881300    
 H    3.426900     -0.1759000       3.314500    
 H    1.840800      0.3856000       2.790500    
 H    2.286500      -1.341400       2.646500    
 H  -0.9973000       1.491300     -0.4938000    
 H   -3.143600      -3.837600      0.3046000    
 H   -4.828600      -2.101300      0.8461000    
 H    4.605100      0.6017000      -2.363800    
 H    6.069500      0.8157000     -0.3749000    
 H   -1.193800       3.763700      0.4874000    
 H   -2.743500       4.510600      2.9500000E-02
 H   -1.740200       3.725700      -1.213200    


%chk=000155468-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155468

0 1
O 0.168780 1.153150 -0.923683
O -4.625315 2.310342 -0.343514
N 1.206478 -0.440289 0.436672
N -2.401878 1.547099 -0.542986
C -1.238003 -0.467267 0.242702
C 2.585698 -0.141560 0.227024
C -2.463354 0.275257 0.065463
C 3.534977 -0.901929 0.984521
C 0.082108 0.138707 -0.136920
C -1.318138 -1.784341 0.776674
C 3.025448 0.852995 -0.686219
C -3.695006 -0.292396 0.502173
C 4.909749 -0.635749 0.795662
C 3.089005 -1.973780 1.967017
C -2.540708 -2.346310 1.184421
C -3.726329 -1.582925 1.058535
C 4.406090 1.090452 -0.850294
C 5.355927 0.350952 -0.112751
C -3.427657 2.476889 -0.726790
C -2.989168 3.750145 -1.445730
H 1.023926 -1.158324 1.138698
H -0.418614 -2.409791 0.835668
H 2.283787 1.424435 -1.245057
H -4.604063 0.300459 0.385984
H 5.641394 -1.214486 1.371938
H 3.962099 -2.440096 2.451690
H 2.453287 -1.564906 2.778570
H 2.524608 -2.790019 1.471018
H -1.452238 1.764844 -0.911261
H -2.573001 -3.365752 1.581515
H -4.685718 -2.003404 1.379333
H 4.734851 1.859729 -1.557574
H 6.427575 0.537320 -0.239326
H -3.185553 4.617160 -0.791166
H -3.605336 3.880508 -2.352175
H -1.923905 3.749679 -1.730733


